Research objectives and content
In nature, the conversion of light into chemical energy involves extended conjugated molecules and the abilitiy of these chromophores to undergo cis-trans isomerization and to transfer energy on short timescale takes a prominent part in photochemical activity. The proposed project is to understand the energy redistribution in extended conjugated compounds, particularly by studying cis-trans isomerization i extended molecules and energy transfer in bichromophoric systems. By performing accurate calculations on smaller molecules and on models for real systems, we propose to explore the mechanism of energy transfer from excited state to ground state.
The results of this work are expected to improve our understanding of photochemical reaction mechanism and give new insights into photobiological processes. There will be of fundamental importance in photochemistry and photobiology.
Training content (objective, benefit and expected impact)
This work programme will enable me to enlarge my knowledge in theoretical chemistry, particularly, by building up new expertise in
Multi-Configurationnal methods and in hybrid quantum mechanic molecular mechanics. This work will also exploit and further develop my abilities in chemical reactivity studies that were gain during my Ph.D. work. Links with industry / industrial relevance (22)